NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.32
Van der Waals volume 374.4
Polar Surface Area 62.83
Van der Waals Surface Area 603.98
Refractivity 118.38

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ELEMENTAL PROPERTIESExact Mass 392.199
Isotope Formula C25H28O4
Dot Disconnected Formula C25H28O4
Dot Disconnected Isotope Formula C25H28O4
Composition C (76.5%), H (7.19%), O (16.31%)
Isotope Composition C (76.5%), H (7.19%), O (16.31%)
Donor Sites 2
Donor Count 2
Acceptor Sites 3
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count57
Aliphatic Atom Count 14
Aliphatic Bond Count 15
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 59
Chain Atom Count 14
Chain Bond Count 15
Chiral Center Count 0
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 7
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.